KEGG:C09911  Umbellulone
  ISISHOST03240423242D 1   1.00000     0.00000  8953
 12 13  0     1  0            999 V2000
   -0.1517   -0.1690    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.6448    0.5000    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.9759   -0.2655    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6310    0.0828    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1586   -0.9931    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.1517    1.1655    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6345    0.9069    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2966   -0.4034    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8759   -1.4034    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5517   -1.4138    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1586    1.9931    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4724    0.5000    0.0000 H   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  1  5  1  6     0  0
  2  6  1  0     0  0
  4  7  1  0     0  0
  4  8  2  0     0  0
  5  9  1  0     0  0
  5 10  1  0     0  0
  6 11  1  0     0  0
  2  3  1  0     0  0
  6  7  2  0     0  0
  2 12  1  6     0  0
M  END